Automate common tasks and customize the interface
The Python API gives full access to all the scientific capabilities of Flare, including the RDKit™ cheminformatics toolkit and to key elements in the main GUI interface. Use it to automate common tasks, customize the interface for your needs, or to develop or incorporate exciting new science.
Python extensions for Flare
The Flare Python API enables you to customize Flare with dedicated menus or new functionality. The freely available extensions provide additional, optional functionality that expand the extensive range of features in Flare. Whether developing your own extension or using one of ours, we provide clear documentation and examples with support to ensure you have the right information to make the best decisions.
- Customize and adapt Flare to your environment
- Choose to add predicted properties into the Flare Ligands table using a REST call to an in-house server or to create new context sensitive menu entries to enhance integration with internal information stores
Run Flare experiments from the command line and script common tasks
A dedicated binary (pyflare) enables users to automate tasks, customize their workflows and develop new science from within a command line python script.
Customize and automate your tasks with ready-to-use recipes in the Flare Python Cookbook, providing a fast-track to getting started with writing scripts, ideal for non-expert Python users.